1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one

C19H28N2O2 — CID 42293003

IUPAC1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCO[C@@H](CC2CCCCC2)C1
InChIInChI=1S/C19H28N2O2/c22-19(7-6-16-8-10-20-11-9-16)21-12-13-23-18(15-21)14-17-4-2-1-3-5-17/h8-11,17-18H,1-7,12-15H2/t18-/m0/s1
InChIKeyQLUUYBNONXBNJI-SFHVURJKSA-N
MW316.44 g/mol
LogP3.21
Rot. Bonds5

About 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one

1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 42293003) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID42293003
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCO[C@@H](CC2CCCCC2)C1
InChIInChI=1S/C19H28N2O2/c22-19(7-6-16-8-10-20-11-9-16)21-12-13-23-18(15-21)14-17-4-2-1-3-5-17/h8-11,17-18H,1-7,12-15H2/t18-/m0/s1
InChIKeyQLUUYBNONXBNJI-SFHVURJKSA-N
XLogP3.21
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 45207278
methyl 4-(3-pyridin-4-ylpropanoyl)morpholine-2-carboxylate
CID 78927221
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
1-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 95180794
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95556090

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one (CID 42293003) is 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCO[C@@H](CC2CCCCC2)C1.
What is the InChIKey of 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is QLUUYBNONXBNJI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(7-6-16-8-10-20-11-9-16)21-12-13-23-18(15-21)14-17-4-2-1-3-5-17/h8-11,17-18H,1-7,12-15H2/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one?
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 316.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 42293003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).